4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine

C11H17N5 — CID 145120459

IUPAC4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine
SMILES[H]/N=C(\C)c1c(N)ncnc1NC1CCCC1
InChIInChI=1S/C11H17N5/c1-7(12)9-10(13)14-6-15-11(9)16-8-4-2-3-5-8/h6,8,12H,2-5H2,1H3,(H3,13,14,15,16)/b12-7+
InChIKeyWMAGVDPEVHORNY-KPKJPENVSA-N
MW219.29 g/mol
LogP1.80
Rot. Bonds3

About 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine

4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine (PubChem CID 145120459) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine
PubChem CID145120459
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine
SMILES[H]/N=C(\C)c1c(N)ncnc1NC1CCCC1
InChIInChI=1S/C11H17N5/c1-7(12)9-10(13)14-6-15-11(9)16-8-4-2-3-5-8/h6,8,12H,2-5H2,1H3,(H3,13,14,15,16)/b12-7+
InChIKeyWMAGVDPEVHORNY-KPKJPENVSA-N
XLogP1.80
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine
CID 143087711
4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]-N'-hydroxycyclohexane-1-carboximidamide
CID 143087704
tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 145011201
tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 126660696
4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide
CID 146520719
4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 143074013
4-N-cyclopentyl-5-(2-methyl-1,3-benzothiazole-6-carboximidoyl)pyrimidine-4,6-diamine
CID 91258608
1H-indol-3-yl 4-amino-6-(cyclopentylamino)pyrimidine-5-carboximidothioate
CID 145372051
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-cyclohexyl-5-[3-[2-methyl-5-(methylamino)phenyl]prop-2-ynimidoyl]pyrimidine-4,6-diamine
CID 145120305
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine (CID 145120459) is 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine is [H]/N=C(\C)c1c(N)ncnc1NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine?
The InChIKey is WMAGVDPEVHORNY-KPKJPENVSA-N. The full InChI is InChI=1S/C11H17N5/c1-7(12)9-10(13)14-6-15-11(9)16-8-4-2-3-5-8/h6,8,12H,2-5H2,1H3,(H3,13,14,15,16)/b12-7+.
What are the key properties of 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine?
4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine has a molecular weight of 219.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine is sourced from PubChem (CID 145120459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).